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Rethinking the applicability domain analysis in QSAR models

José R. Mora, Edgar Márquez, Noel Pérez, Ernesto Contreras‐Torres, Yunierkis Pérez‐Castillo, Guillermı́n Agüero-Chapin, Félix Martínez-Rios, Yovani Marrero‐Ponce, Stephen J. Barigye

2024Journal of Computer-Aided Molecular Design17 citationsDOI

Topics & Concepts

Applicability domainQuantitative structure–activity relationshipComputer scienceReliability (semiconductor)Machine learningData miningEconometricsArtificial intelligenceMathematicsPhysicsPower (physics)Quantum mechanicsComputational Drug Discovery MethodsAdvanced Proteomics Techniques and ApplicationsReceptor Mechanisms and Signaling
Rethinking the applicability domain analysis in QSAR models | Litcius